2-azanyl-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,3-dicarbonitrile Openeye Name: 2-amino-5-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,3-dicarbonitrile CAS Name: 2-amino-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-5-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,3-dicarbonitrile Traditional Name: 2-amino-5-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]isophthalonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C(=C3)C#N)N)C#N)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C(=C3)C#N)N)C#N)O

InChI

InChI=1S/C20H20N4O3/c1-12(4-13-2-3-18-19(5-13)27-11-26-18)24-10-17(25)14-6-15(8-21)20(23)16(7-14)9-22/h2-3,5-7,12,17,24-25H,4,10-11,23H2,1H3